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Ligand · AOX

AOX · (3Beta,5alpha)-3-Hydroxyandrostan-17-one

AOX, (3Beta,5alpha)-3-Hydroxyandrostan-17-one (C19 H30 O2, 290.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
AOX
Formula
C19 H30 O2
Class
ligand
Structures
10
PDB entries
5

Binding sites

AOX in 10 structures; the first of them:

  • 1OV4 · Crystal structure of human DHEA-ST complexed with androsterone · AOX A287 · binds PHE18, PRO43, LYS44, TRP72, TRP77, SER80, ILE82, GLY83 and 4 more
  • 2QP3 · Identification and Characterization of Two Amino Acids Critical for the Substrate… · AOX A286 · binds GLY17, PHE18, PRO43, LYS44, TRP72, TRP77, SER80, ILE82 and 5 more
  • 2QP4 · Identification and Characterization of Two Amino Acids Critical for the Substrate… · AOX A286 · binds PHE18, PRO43, LYS44, THR47, TRP72, TRP77, SER80, ILE82 and 8 more
  • 3UZX · Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and… · AOX B501 · binds TYR26, ILE57, TYR58, TRP89, HIS120, TYR132, ILE229, TRP230 and 3 more
  • 4XO6 · Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with… · AOX B402 · binds TYR24, VAL54, TYR55, TRP86, VAL128, ILE129, HIS222, GLU224 and 3 more
  • 1OV4 · Crystal structure of human dhea-st complexed with androsterone · AOX A287 · binds PHE18, PRO43, LYS44, TRP72, TRP77, SER80, ILE82, GLY83 and 4 more
  • 2QP3 · Identification and characterization of two amino acids critical for the substrate… · AOX A286 · binds GLY17, PHE18, PRO43, LYS44, TRP72, TRP77, SER80, ILE82 and 5 more
  • 2QP4 · Identification and characterization of two amino acids critical for the substrate… · AOX A286 · binds PHE18, PRO43, LYS44, THR47, TRP72, TRP77, SER80, ILE82 and 8 more
  • 3UZX · Crystal structure of 5BETA-reductase (AKR1D1) E120H mutant in complex with NADP+ and… · AOX B501 · binds TYR26, ILE57, TYR58, TRP89, HIS120, TYR132, ILE229, TRP230 and 3 more
  • 4XO6 · Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with… · AOX B402 · binds TYR24, VAL54, TYR55, TRP86, VAL128, ILE129, HIS222, GLU224 and 3 more

Residues it binds most

TRP 10, TYR 10, ILE 10, PHE 6, HIS 10, LEU 6, GLY 4, LYS 6, PRO 6, SER 6 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • 5SD · 5alpha-androstan-3,17-dione
  • AOM · 5-alpha-androstane-3-beta,17beta-diol
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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